Formula |
C25H24ClN3O3S |
IUPAC Name |
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[3,2-d]pyrimidin-4-one |
Molecular Mass |
481.994 g·mol−1 |
Heat of Formation |
-113.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.40 ± 1.08 D |
Volume |
548.97 Å 3 |
Surface Area |
482.38 Å 2 |
HOMO Energy |
-8.67 ± 0.55 eV |
LUMO Energy |
-1.25 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-1-pyrrolidinylethoxy)phenyl]-4-thieno[2,3-e]pyrimidinone
- 6-(4-chlorophenyl)-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]thieno[2,3-e]pyrimidin-4-one
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InChIKey |
MWULMTACIBZPGN-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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